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CHEBI:223423 - (5R,6R)-5-(chloromethyl)-5-hydroxy-6-(hydroxymethyl)-6-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]oxan-2-one

ChEBI IDCHEBI:223423
ChEBI Name(5R,6R)-5-(chloromethyl)-5-hydroxy-6-(hydroxymethyl)-6-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]oxan-2-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23ClO5
Net Charge0
Average Mass318.797
Monoisotopic Mass318.12340
SMILESCC(C)=CC[C@H]1O[C@]1(C)[C@]1(CO)OC(=O)CC[C@]1(O)CCl
InChIInChI=1S/C15H23ClO5/c1-10(2)4-5-11-13(3,20-11)15(9-17)14(19,8-16)7-6-12(18)21-15/h4,11,17,19H,5-9H2,1-3H3/t11-,13+,14+,15+/m1/s1
InChIKeyUJAIFASNQZFBSW-UNQGMJICSA-N
Species of MetaboliteComponentSourceComments
Pseudallescheria (ncbitaxon:5596) - PubMed (30978020)
ChEBI Ontology
Outgoing Relation(s)
(5R,6R)-5-(chloromethyl)-5-hydroxy-6-(hydroxymethyl)-6-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]oxan-2-one (CHEBI:223423) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(5R,6R)-5-(chloromethyl)-5-hydroxy-6-(hydroxymethyl)-6-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]oxan-2-one
Manual XrefsDatabases
74832024ChemSpider